5,5-dimethylcyclohexane-1,3-dione
Molecule Viewer
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 508.52 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 518.44 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 12.47 | J mol-1 K-1 |
| Vibrational | 133.09 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 166.35 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.38 | J mol-1 K-1 |
| Rotational | 123.36 | J mol-1 K-1 |
| Vibrational | 108.42 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 402.16 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -413.38 | kJ mol-1 |
Molecular Orbitals
- 1 -551.82 eV View
- 2 -551.82 eV View
- 3 -302.74 eV View
- 4 -302.73 eV View
- 5 -301.44 eV View
- 6 -301.03 eV View
- 7 -300.89 eV View
- 8 -300.89 eV View
- 9 -300.54 eV View
- 10 -300.52 eV View
- 11 -36.32 eV View
- 12 -36.18 eV View
- 13 -29.97 eV View
- 14 -27.17 eV View
- 15 -25.69 eV View
- 16 -24.75 eV View
- 17 -24.63 eV View
- 18 -20.11 eV View
- 19 -19.71 eV View
- 20 -18.39 eV View
- 21 -16.67 eV View
- 22 -16.64 eV View
- 23 -16.09 eV View
- 24 -15.96 eV View
- 25 -15.56 eV View
- 26 -14.83 eV View
- 27 -14.18 eV View
- 28 -13.95 eV View
- 29 -13.69 eV View
- 30 -13.58 eV View
- 31 -13.35 eV View
- 32 -12.29 eV View
- 33 -12.12 eV View
- 34 -12.05 eV View
- 35 -10.84 eV View
- 36 -10.73 eV View
- 37 -8.94 eV View
- 38 -8.64 eV View
- 39 7.48 eV View
- 40 8.16 eV View
- 41 15.26 eV View
- 42 15.61 eV View
- 43 15.73 eV View
- 44 16.31 eV View
- 45 16.76 eV View
- 46 17.50 eV View
- 47 17.77 eV View
- 48 18.77 eV View
- 49 18.97 eV View
- 50 19.39 eV View
- 51 19.45 eV View
- 52 19.78 eV View
- 53 19.83 eV View
- 54 20.09 eV View
- 55 20.52 eV View
- 56 20.94 eV View
- 57 21.19 eV View
- 58 21.79 eV View
- 59 21.98 eV View
- 60 22.38 eV View
- 61 26.74 eV View
- 62 28.15 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 84.10 cm-1 View
- 2 85.19 cm-1 View
- 3 123.07 cm-1 View
- 4 184.96 cm-1 View
- 5 214.55 cm-1 View
- 6 279.52 cm-1 View
- 7 323.98 cm-1 View
- 8 376.91 cm-1 View
- 9 395.97 cm-1 View
- 10 422.61 cm-1 View
- 11 427.16 cm-1 View
- 12 478.38 cm-1 View
- 13 513.50 cm-1 View
- 14 579.84 cm-1 View
- 15 609.29 cm-1 View
- 16 677.91 cm-1 View
- 17 840.89 cm-1 View
- 18 886.89 cm-1 View
- 19 902.94 cm-1 View
- 20 933.98 cm-1 View
- 21 936.17 cm-1 View
- 22 962.07 cm-1 View
- 23 974.64 cm-1 View
- 24 983.51 cm-1 View
- 25 996.36 cm-1 View
- 26 999.89 cm-1 View
- 27 1024.34 cm-1 View
- 28 1070.91 cm-1 View
- 29 1086.95 cm-1 View
- 30 1200.85 cm-1 View
- 31 1236.86 cm-1 View
- 32 1279.75 cm-1 View
- 33 1288.19 cm-1 View
- 34 1312.81 cm-1 View
- 35 1338.17 cm-1 View
- 36 1338.76 cm-1 View
- 37 1370.45 cm-1 View
- 38 1383.42 cm-1 View
- 39 1386.33 cm-1 View
- 40 1389.22 cm-1 View
- 41 1400.44 cm-1 View
- 42 1401.60 cm-1 View
- 43 1403.70 cm-1 View
- 44 1409.65 cm-1 View
- 45 1412.46 cm-1 View
- 46 1413.79 cm-1 View
- 47 1969.40 cm-1 View
- 48 1993.76 cm-1 View
- 49 2953.38 cm-1 View
- 50 2953.98 cm-1 View
- 51 2956.55 cm-1 View
- 52 3028.54 cm-1 View
- 53 3029.04 cm-1 View
- 54 3033.95 cm-1 View
- 55 3079.27 cm-1 View
- 56 3080.88 cm-1 View
- 57 3081.25 cm-1 View
- 58 3082.12 cm-1 View
- 59 3175.54 cm-1 View
- 60 3176.74 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -3.34 | kJ mol-1 |
| Polar Solvation Energy | -26.71 | kJ mol-1 |
| Nonpolar Solvation Energy | 23.37 | kJ mol-1 |
| Surface Area | 128.15 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.42 | Debye |